| CAS Number | 1226186-68-0 |
| Catalog Number | AG01DH99 |
| Chemical Name | 1-(4-chlorophenyl)-3-ethyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(4-chlorophenyl)-5-ethylpyrazol-3-amine |
| InChI | InChI=1S/C11H12ClN3/c1-2-9-7-11(13)15(14-9)10-5-3-8(12)4-6-10/h3-7H,2,13H2,1H3 |
| InChI Key | UWUUFQBJSFHOEP-UHFFFAOYSA-N |
| MDL Number | MFCD16312117 |
| Molecular Formula | C11H12ClN3 |
| Molecular Weight | 221.6861 |
| SMILES | CCc1cc(N)n(n1)-c1ccc(Cl)cc1 |
| Synonyms | 1-(4-Chlorophenyl)-3-ethyl-1H-pyrazol-5-amine,
1226186-68-0,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.688g/mol |
| Monoisotopic Mass | 221.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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